CID 213361

Di-n-propyl anilidophosphate

Structural Information

Molecular Formula
C12H20NO3P
SMILES
CCCOP(=O)(NC1=CC=CC=C1)OCCC
InChI
InChI=1S/C12H20NO3P/c1-3-10-15-17(14,16-11-4-2)13-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,13,14)
InChIKey
VSTQZOWBDWEBAU-UHFFFAOYSA-N
Compound name
N-dipropoxyphosphorylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12535 161.8
[M+Na]+ 280.10729 166.9
[M-H]- 256.11079 163.5
[M+NH4]+ 275.15189 178.8
[M+K]+ 296.08123 165.5
[M+H-H2O]+ 240.11533 152.6
[M+HCOO]- 302.11627 190.7
[M+CH3COO]- 316.13192 197.9
[M+Na-2H]- 278.09274 165.5
[M]+ 257.11752 166.5
[M]- 257.11862 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.